(3-methoxy-4-propan-2-yloxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxy-4-propan-2-yloxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-isopropoxy-3-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-4-propan-2-yloxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxy-4-propan-2-yloxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-isopropoxy-3-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)OC

InChI

InChI=1S/C22H26N4O4S/c1-15(2)29-17-7-6-16(13-18(17)28-3)22(27)26-10-8-25(9-11-26)14-20-23-21(24-30-20)19-5-4-12-31-19/h4-7,12-13,15H,8-11,14H2,1-3H3/p+1